SCHEMBL9717434

SCHEMBL9717434

O=C(O)CCNC(=O)c1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
PRSS1 P07477 1/20 0.58
CTSG P08311 1/20 0.58
CTRB1 P17538 1/20 0.58
CMA1 P23946 1/20 0.58
SIRT5 Q9NXA8 2/20 0.56
NME4 O00746 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
ADORA2A P29274 1/20 0.56
AVPR2 P30518 1/20 0.56
AGTR1 P30556 1/20 0.56
SLC6A4 P31645 1/20 0.56
AVPR1A P37288 1/20 0.56
HTR3A P46098 1/20 0.56
GCDH Q92947 1/20 0.56
SLC29A1 Q99808 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3211210 0.92 CA1 (0.63) MAPK1CA1CA2PRSS1CTSG
Betamipron SCHEMBL4498475 0.91 PRSS1 (0.70) MAPK1CA1CA2PRSS1CTSG
Betamipron SCHEMBL605899 0.91 PRSS1 (0.70) MAPK1CA1CA2PRSS1CTSG
SCHEMBL8879067 0.90 CA1 (0.61) MAPK1CA1CA2PRSS1CTSG
SCHEMBL5625471 0.90 CYP1A2 (0.66) MAPK1CA1CA2CYP1A2CYP2C19
SCHEMBL17946072 0.90 CA1 (0.61) MAPK1CA1CA2LMNAL3MBTL1
SCHEMBL279993 0.90 LMNA (0.71) MAPK1CA1CA2CYP1A2CYP2C9
SCHEMBL2644934 0.90 CA1 (0.61) MAPK1CA1CA2PRSS1CTSG
SCHEMBL1520329 0.90 NPC1 (0.63) MAPK1CA1CA2SIRT5KDM4E
SCHEMBL130343 0.90 KDM4E (0.68) MAPK1CA1CA2PRSS1CTSG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2562203-B1 POLYAMIDE COMPOUND MITSUBISHI GAS CHEMICAL CO (JP) 2015-09-30 EP disclosed
US-8492504-B2 Catalytic depolymerization of polymers containing electrophilic linkages using nucleophilic reagents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-07-23 US disclosed
US-8492504-B2 Catalytic depolymerization of polymers containing electrophilic linkages using nucleophilic reagents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-07-23 US disclosed
US-20120302781-A1 Catalytic Depolymerization of Polymers Containing Electrophilic Linkages Using Nucleophilic Reagents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-29 US disclosed
US-20120302781-A1 Catalytic Depolymerization of Polymers Containing Electrophilic Linkages Using Nucleophilic Reagents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-29 US disclosed
US-8309618-B2 Catalytic depolymerization of polymers containing electrophilic linkages using nucleophilic reagents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-13 US disclosed
US-8309618-B2 Catalytic depolymerization of polymers containing electrophilic linkages using nucleophilic reagents INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-13 US disclosed
US-20110004014-A1 Catalytic Depolymerization of Polymers Containing Electrophilic Linkages Using Nucleophilic Reagents NATIONAL SCIENCE FOUNDATION 2011-01-06 US disclosed
US-20110004014-A1 Catalytic Depolymerization of Polymers Containing Electrophilic Linkages Using Nucleophilic Reagents NATIONAL SCIENCE FOUNDATION 2011-01-06 US disclosed
US-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed
US-4556697-A Alternating copolyamide prepared on a polymer matrix THE STANDARD OIL COMPANY (US) 1985-12-03 US disclosed
US-4429109-A Polyamides with high glass transition temperatures prepared from N,N'-terephthaloyldi-beta-alanine and a diamine STANDARD OIL COMPANY (US) 1984-01-31 US disclosed
US-4429109-A Polyamides with high glass transition temperatures prepared from N,N'-terephthaloyldi-beta-alanine and a diamine STANDARD OIL COMPANY (US) 1984-01-31 US disclosed
US-4429109-A Polyamides with high glass transition temperatures prepared from N,N'-terephthaloyldi-beta-alanine and a diamine STANDARD OIL COMPANY (US) 1984-01-31 US disclosed
US-4393192-A Crystalline copolymers prepared from N,N'-terephthaloyldi-beta-alanine and a glycol THE STANDARD OIL COMPANY (US) 1983-07-12 US disclosed
US-4393192-A Crystalline copolymers prepared from N,N'-terephthaloyldi-beta-alanine and a glycol THE STANDARD OIL COMPANY (US) 1983-07-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120302781-A1 Catalytic Depolymerization of Polymers Containing Electrophilic Linkages Using Nucleophilic Reagents UNG, GDA, MPG MAPK1 3314/4885CA1 2299/4885CA2 1790/4885
US-20110004014-A1 Catalytic Depolymerization of Polymers Containing Electrophilic Linkages Using Nucleophilic Reagents UNG, GDA, MPG MAPK1 3314/4885CA1 2299/4885CA2 1790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.